Commercially available donor adaptation for improvement of routine TADF structures

   

Project no.: 09.3.3-LMT-K-712-15-0068

Project description:

The aim of this project is to synthesize new TADF emitters by pairing conventional acceptor groups with a new, commercially viable donor fragment.

Project funding:

Project is funded by EU Structural Funds according to the 2014–2020 Operational Programme for the European Union Funds’ Investments priority “Development of scientific competence of researchers, other researchers, students through practical scientific activities” under Measure No. 09.3.3-LMT-K-712.


Project results:

Target compounds were synthesized using a two-step approach via nucleophilic aromatic substitution or Buchwald-Hartwig cross-coupling reactions of phenothiazine and various acceptor (benzophenone, diphenyl sulfone, triazine, and pyrimidine) fragments followed by oxidation with hydrogen peroxide or mCPBA. Structure analysis were performed using SC-XRD, NMR and MS spectroscopy. Computer chemistry methods were applied to estimate properties of TADF compounds. HOMO-LUMO separation in the compounds is sufficient for TADF process. In all compounds, except 10-[4-[4-(5,5-dioxophenothiazin-10-yl)phenyl]sulfonylphenyl]phenothiazine 5,5-dioxide, singlet-triplet energy difference is < 300 meV and enough for TADF process. The Cambridge Crystallographic Data Centre (CCDC) data bank was updated with 5 new structures.

Period of project implementation: 2019-07-08 - 2019-08-31

Project coordinator: Kaunas University of Technology

Head:
Gintaras Buika

Duration:
2019 - 2019

Department:
Department of Polymer Chemistry and Technology, Faculty of Chemical Technology